SCHEMBL7621797

SCHEMBL7621797

CCCCCCCOc1ccc(CCC(CC)(C(=O)O)C(=O)OCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.57
S1PR4 O95977 5/20 0.57
S1PR3 Q99500 5/20 0.57
S1PR5 Q9H228 4/20 0.57
RARB P10826 3/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7617307 0.99 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5RARB
SCHEMBL7615879 0.94 S1PR1 (0.57) S1PR1S1PR4S1PR3S1PR5RARB
SCHEMBL7619502 0.93 S1PR1 (0.57) S1PR1S1PR4S1PR3S1PR5RARB
SCHEMBL7621717 0.93 S1PR1 (0.57) S1PR1S1PR4S1PR3S1PR5RARB
SCHEMBL7614857 0.92 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5RARB
SCHEMBL7714184 0.90 FFAR1 (0.53) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL7615830 0.89 S1PR1 (0.57) S1PR1S1PR4S1PR3S1PR5RARB
SCHEMBL7614731 0.89 S1PR1 (0.57) S1PR1S1PR4S1PR3S1PR5RARB
SCHEMBL7619648 0.89 S1PR1 (0.53) S1PR1S1PR4S1PR3S1PR5RARB
SCHEMBL7619345 0.89 S1PR1 (0.53) S1PR1S1PR4S1PR3S1PR5RARB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 US disclosed
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed